uridine   

GtoPdb Ligand ID: 4566

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 124.78
Molecular weight 244.07
XLogP -1.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O
InChI InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChI Key DRTQHJPVMGBUCF-XVFCMESISA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Database Links
CAS Registry No. 58-96-8 (source: Scifinder)
ChEBI CHEBI:16704
ChEMBL Ligand CHEMBL100259
DrugBank Ligand DB02745
GtoPdb PubChem SID 178101287
PubChem CID 6029
RCSB PDB Ligand URI
Search Google for chemical match using the InChIKey DRTQHJPVMGBUCF-XVFCMESISA-N
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Search UniChem for chemical match using the InChIKey DRTQHJPVMGBUCF-XVFCMESISA-N
Search UniChem for chemicals with the same backbone DRTQHJPVMGBUCF
Wikipedia Uridine